2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)

C178H259N41O16 — CID 159320489

IUPAC2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)
SMILESCCC.CCN(C)c1nc(C(C)CN(C)c2nc(N(C)CC)nc(N(C)CC)n2)nc(N(C)CC)n1.CCN(C)c1nc(N(C)C)nc(N(C)C)n1.CCN(C)c1nc(N(C)C)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C22H41N11.3C12H24N6.C11H22N6.C10H20N6.16C6H6O.C3H8/c1-11-29(6)18-23-17(24-19(25-18)30(7)12-2)16(5)15-33(10)22-27-20(31(8)13-3)26-21(28-22)32(9)14-4;3*1-7-16(4)10-13-11(17(5)8-2)15-12(14-10)18(6)9-3;1-7-16(5)10-12-9(15(3)4)13-11(14-10)17(6)8-2;1-7-16(6)10-12-8(14(2)3)11-9(13-10)15(4)5;16*7-6-4-2-1-3-5-6;1-3-2/h16H,11-15H2,1-10H3;3*7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3;16*1-5,7H;3H2,1-2H3
InChIKeyLDRTWARYMUUINM-UHFFFAOYSA-N
MW3229.30 g/mol
LogP30.84
Rot. Bonds39

About 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)

2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) (PubChem CID 159320489) has the molecular formula C178H259N41O16 and a molecular weight of 3229.30 g/mol. Its IUPAC name is 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine).

Molecular Properties

Compound Name2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)
PubChem CID159320489
Molecular FormulaC178H259N41O16
Molecular Weight3229.30 g/mol
Exact Mass3227.07
IUPAC Name2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)
SMILESCCC.CCN(C)c1nc(C(C)CN(C)c2nc(N(C)CC)nc(N(C)CC)n2)nc(N(C)CC)n1.CCN(C)c1nc(N(C)C)nc(N(C)C)n1.CCN(C)c1nc(N(C)C)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C22H41N11.3C12H24N6.C11H22N6.C10H20N6.16C6H6O.C3H8/c1-11-29(6)18-23-17(24-19(25-18)30(7)12-2)16(5)15-33(10)22-27-20(31(8)13-3)26-21(28-22)32(9)14-4;3*1-7-16(4)10-13-11(17(5)8-2)15-12(14-10)18(6)9-3;1-7-16(5)10-12-9(15(3)4)13-11(14-10)17(6)8-2;1-7-16(6)10-12-8(14(2)3)11-9(13-10)15(4)5;16*7-6-4-2-1-3-5-6;1-3-2/h16H,11-15H2,1-10H3;3*7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3;16*1-5,7H;3H2,1-2H3
InChIKeyLDRTWARYMUUINM-UHFFFAOYSA-N
XLogP30.84
TPSA659.17 Ų
H-Bond Donors16
H-Bond Acceptors57
Rotatable Bonds39
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003229.30
LogP ≤ 530.84
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1057

Analyze 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)?
The IUPAC name of 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) (CID 159320489) is 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine).
What is the SMILES notation for 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)?
The canonical SMILES for 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) is CCC.CCN(C)c1nc(C(C)CN(C)c2nc(N(C)CC)nc(N(C)CC)n2)nc(N(C)CC)n1.CCN(C)c1nc(N(C)C)nc(N(C)C)n1.CCN(C)c1nc(N(C)C)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.CCN(C)c1nc(N(C)CC)nc(N(C)CC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)?
The InChIKey is LDRTWARYMUUINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N11.3C12H24N6.C11H22N6.C10H20N6.16C6H6O.C3H8/c1-11-29(6)18-23-17(24-19(25-18)30(7)12-2)16(5)15-33(10)22-27-20(31(8)13-3)26-21(28-22)32(9)14-4;3*1-7-16(4)10-13-11(17(5)8-2)15-12(14-10)18(6)9-3;1-7-16(5)10-12-9(15(3)4)13-11(14-10)17(6)8-2;1-7-16(6)10-12-8(14(2)3)11-9(13-10)15(4)5;16*7-6-4-2-1-3-5-6;1-3-2/h16H,11-15H2,1-10H3;3*7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3;16*1-5,7H;3H2,1-2H3.
What are the key properties of 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine)?
2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) has a molecular weight of 3229.30 g/mol, XLogP of 30.84, 39 rotatable bonds, 16 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4,6-bis[ethyl(methyl)amino]-1,3,5-triazin-2-yl]propyl]-4-N,6-N-diethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-diethyl-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;phenol;propane;tris(2-N,4-N,6-N-triethyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine) is sourced from PubChem (CID 159320489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).